sodium 2-(6-azanylhexanoyloxy)benzenesulfonate

Systemtic Name: sodium 2-(6-azanylhexanoyloxy)benzenesulfonate Openeye Name: sodium 2-(6-aminohexanoyloxy)benzenesulfonate CAS Name: sodium 2-(6-amino-1-oxohexoxy)benzenesulfonate IUPAC Name: sodium 2-(6-aminohexanoyloxy)benzenesulfonate Traditional Name: sodium 2-(6-aminohexanoyloxy)besylate Formula: C12H16NNaO5S MolecularWeight: 309.31391

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OC(=O)CCCCCN)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)OC(=O)CCCCCN)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H17NO5S.Na/c13-9-5-1-2-8-12(14)18-10-6-3-4-7-11(10)19(15,16)17;/h3-4,6-7H,1-2,5,8-9,13H2,(H,15,16,17);/q;+1/p-1